(5Z)-5-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H21N2O2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H21N2O2FS2 |
| Smiles | O=C(/C(/S1)=C/c2cn(Cc3cc(F)ccc3)c3c2cccc3)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C24H21FN2O2S2/c25-18-6-3-5-16(11-18)13-26-14-17(20-8-1-2-9-21(20)26)12-22-23(28)27(24(30)31-22)15-19-7-4-10-29-19/h1-3,5-6,8-9,11-12,14,19H,4,7,10,13,15H2/t19-/m1/s1 |
| InChIK | IIWCZMGMHDCQMW-LJQANCHMSA-N |
| TotalMolweight | 452.573 |
| Molweight | 452.573 |
| MonoisotopicMass | 452.102846 |
| CLogP | 3.3274 |
| CLogS | -5.115 |
| H Acceptors | 4 |
| TotalSurfaceArea | 330.43 |
| Relative PSA | 0.23893 |
| PolarSurfaceArea | 91.86 |
| Druglikeness | 1.4456 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 9 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (5Z)-5-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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